2-amino-2-(7-methyl-2,3-dihydro-1H-indol-3-yl)ethanol

C11H16N2O — CID 83860422

IUPAC2-amino-2-(7-methyl-2,3-dihydro-1H-indol-3-yl)ethanol
SMILESCc1cccc2c1NCC2C(N)CO
InChIInChI=1S/C11H16N2O/c1-7-3-2-4-8-9(10(12)6-14)5-13-11(7)8/h2-4,9-10,13-14H,5-6,12H2,1H3
InChIKeyWAYQDRGFDIBOHD-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.82
Rot. Bonds2

About 2-amino-2-(7-methyl-2,3-dihydro-1H-indol-3-yl)ethanol

2-amino-2-(7-methyl-2,3-dihydro-1H-indol-3-yl)ethanol (PubChem CID 83860422) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-amino-2-(7-methyl-2,3-dihydro-1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(7-methyl-2,3-dihydro-1H-indol-3-yl)ethanol
PubChem CID83860422
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-amino-2-(7-methyl-2,3-dihydro-1H-indol-3-yl)ethanol
SMILESCc1cccc2c1NCC2C(N)CO
InChIInChI=1S/C11H16N2O/c1-7-3-2-4-8-9(10(12)6-14)5-13-11(7)8/h2-4,9-10,13-14H,5-6,12H2,1H3
InChIKeyWAYQDRGFDIBOHD-UHFFFAOYSA-N
XLogP0.82
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(7-methyl-2,3-dihydro-1H-indol-3-yl)ethanol?
The IUPAC name of 2-amino-2-(7-methyl-2,3-dihydro-1H-indol-3-yl)ethanol (CID 83860422) is 2-amino-2-(7-methyl-2,3-dihydro-1H-indol-3-yl)ethanol.
What is the SMILES notation for 2-amino-2-(7-methyl-2,3-dihydro-1H-indol-3-yl)ethanol?
The canonical SMILES for 2-amino-2-(7-methyl-2,3-dihydro-1H-indol-3-yl)ethanol is Cc1cccc2c1NCC2C(N)CO.
What is the InChIKey of 2-amino-2-(7-methyl-2,3-dihydro-1H-indol-3-yl)ethanol?
The InChIKey is WAYQDRGFDIBOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-7-3-2-4-8-9(10(12)6-14)5-13-11(7)8/h2-4,9-10,13-14H,5-6,12H2,1H3.
What are the key properties of 2-amino-2-(7-methyl-2,3-dihydro-1H-indol-3-yl)ethanol?
2-amino-2-(7-methyl-2,3-dihydro-1H-indol-3-yl)ethanol has a molecular weight of 192.26 g/mol, XLogP of 0.82, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(7-methyl-2,3-dihydro-1H-indol-3-yl)ethanol is sourced from PubChem (CID 83860422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).